Information card for entry 2239368

Structure parameters

• Chemical name: <i>O</i>-Ethyl <i>S</i>-{(<i>S</i>)-1-oxo-1-[(<i>R</i>)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate
• Formula: C15 H17 N O4 S2
• Calculated formula: C15 H17 N O4 S2
• SMILES: CCOC(=S)S[C@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)C
• Title of publication: <i>O</i>-Ethyl <i>S</i>-{(<i>S</i>)-1-oxo-1-[(<i>R</i>)-2-oxo-4-phenyloxazolidin-3-yl]propan-2-yl} carbonodithioate
• Authors of publication: García-Merinos, J. Pablo; López-Ruiz, Heraclio; López, Yliana; Rojas-Lima, Susana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o584 - o585
• a: 10.8558 ± 0.0015 Å
• b: 6.1867 ± 0.0009 Å
• c: 12.3057 ± 0.0017 Å
• α: 90°
• β: 94.911 ± 0.004°
• γ: 90°
• Cell volume: 823.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes